SCHEMBL18530481

SCHEMBL18530481

O=C(O)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.56
RXRB P28702 4/20 0.56
RXRG P48443 3/20 0.56
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
XBP1 P17861 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BCL2L1 Q07817 1/20 0.47
BAD Q92934 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KIF11 P52732 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
EPHX2 P34913 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL321273 0.88 MAPT (0.55) RXRARXRBRXRGMAPTLMNA
SCHEMBL18530518 0.87 RXRA (0.56) RXRARXRBRXRGLMNAKDM4E
SCHEMBL18530477 0.81 NOTUM (0.64) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL1042573 0.80 NOTUM (0.50) RXRARXRBRXRGMAPTLMNA
SCHEMBL28242953 0.79 KIF11 (0.59) RXRARXRBRXRGMAPTLMNA
SCHEMBL20497045 0.79 RXRA (0.58) RXRARXRBRXRGLMNAKDM4E
SCHEMBL18530586 0.77 ERN1 (0.43) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL18530624 0.76 ERN1 (0.42) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL23302210 0.76 ADH5 (0.63) RXRARXRBRXRGBCL2L1BAD
SCHEMBL4049684 0.75 AR (0.57) MAPTLMNAMEN1KMT2ANPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators Karyopharm Therapeutics Inc. 2019-07-18 US disclosed
EP-3337796-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics, Inc. (US) 2018-06-27 EP disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators NAMPT, PAK3, PAK5 RXRA 4264/4885RXRB 4214/4885RXRG 4263/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.